REMARK VINA RESULT: -6.2 1.620 2.945 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 -3.279 -0.172 3.254 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -0.810 -0.129 1.674 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -0.838 -0.810 2.923 0.00 0.00 0.025 A ATOM 4 C UNL d 1 0.398 -0.079 0.876 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -3.237 0.430 1.983 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.048 -0.725 3.704 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -2.020 0.478 1.266 0.00 0.00 0.020 A ATOM 8 C UNL d 1 0.336 -1.515 3.328 0.00 0.00 0.051 A ATOM 9 C UNL d 1 1.536 -0.744 1.363 0.00 0.00 0.107 A ATOM 10 C UNL d 1 1.502 -1.463 2.555 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -4.388 1.130 1.294 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.533 -0.228 4.086 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -4.788 -1.253 5.015 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -5.973 -1.235 5.783 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -3.862 -2.400 5.343 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -7.016 -0.295 5.644 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -6.821 0.718 4.662 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -8.221 -0.343 6.443 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -5.547 0.762 3.986 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -7.894 1.635 4.433 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -9.050 1.589 5.207 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -9.203 0.632 6.207 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -5.305 1.898 3.236 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -5.903 2.614 3.506 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -7.871 2.580 3.286 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -7.703 2.244 2.120 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -10.104 2.439 4.986 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -10.580 2.067 4.218 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -10.399 0.729 6.875 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -10.270 0.617 7.827 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -8.439 -1.445 7.490 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -8.139 -1.001 8.927 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -9.799 -2.131 7.332 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -1.954 -1.182 5.006 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.029 -1.374 5.233 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 0.333 -2.429 4.493 0.00 0.00 0.273 C ATOM 37 O UNL d 1 0.933 -2.220 5.540 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 0.430 0.643 -0.478 0.00 0.00 0.014 C ATOM 39 C UNL d 1 0.829 2.120 -0.381 0.00 0.00 0.015 C ATOM 40 C UNL d 1 1.225 -0.139 -1.529 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 2.631 -2.160 2.900 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 3.072 -1.611 3.577 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 2.753 -0.804 0.726 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 3.004 -1.720 0.551 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11